N-[[5-(3-chloro-4-propan-2-yloxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-(3,5-dimethyl-4-propan-2-yloxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-ethyl-N-methyl-3-[4-[[methyl(propyl)amino]methyl]-1H-pyrazol-5-yl]benzamide;N-ethyl-3-[4-[[methyl(propyl)amino]methyl]-1H-pyrazol-5-yl]benzamide;N-methyl-N-[[5-(4-phenoxyphenyl)-1H-pyrazol-4-yl]methyl]propan-1-amine

C92H128ClN17O5 — CID 157244076

IUPACN-[[5-(3-chloro-4-propan-2-yloxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-(3,5-dimethyl-4-propan-2-yloxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-ethyl-N-methyl-3-[4-[[methyl(propyl)amino]methyl]-1H-pyrazol-5-yl]benzamide;N-ethyl-3-[4-[[methyl(propyl)amino]methyl]-1H-pyrazol-5-yl]benzamide;N-methyl-N-[[5-(4-phenoxyphenyl)-1H-pyrazol-4-yl]methyl]propan-1-amine
SMILESCCCCN(C)Cc1cn[nH]c1-c1ccc(OC(C)C)c(Cl)c1.CCCN(C)Cc1cn[nH]c1-c1cc(C)c(OC(C)C)c(C)c1.CCCN(C)Cc1cn[nH]c1-c1ccc(Oc2ccccc2)cc1.CCCN(C)Cc1cn[nH]c1-c1cccc(C(=O)N(C)CC)c1.CCCN(C)Cc1cn[nH]c1-c1cccc(C(=O)NCC)c1
InChIInChI=1S/C20H23N3O.C19H29N3O.C18H26ClN3O.C18H26N4O.C17H24N4O/c1-3-13-23(2)15-17-14-21-22-20(17)16-9-11-19(12-10-16)24-18-7-5-4-6-8-18;1-7-8-22(6)12-17-11-20-21-18(17)16-9-14(4)19(15(5)10-16)23-13(2)3;1-5-6-9-22(4)12-15-11-20-21-18(15)14-7-8-17(16(19)10-14)23-13(2)3;1-5-10-21(3)13-16-12-19-20-17(16)14-8-7-9-15(11-14)18(23)22(4)6-2;1-4-9-21(3)12-15-11-19-20-16(15)13-7-6-8-14(10-13)17(22)18-5-2/h4-12,14H,3,13,15H2,1-2H3,(H,21,22);9-11,13H,7-8,12H2,1-6H3,(H,20,21);7-8,10-11,13H,5-6,9,12H2,1-4H3,(H,20,21);7-9,11-12H,5-6,10,13H2,1-4H3,(H,19,20);6-8,10-11H,4-5,9,12H2,1-3H3,(H,18,22)(H,19,20)
InChIKeyAVNXYAFNZCMFRG-UHFFFAOYSA-N
MW1587.60 g/mol
LogP19.46
Rot. Bonds36

About N-[[5-(3-chloro-4-propan-2-yloxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-(3,5-dimethyl-4-propan-2-yloxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-ethyl-N-methyl-3-[4-[[methyl(propyl)amino]methyl]-1H-pyrazol-5-yl]benzamide;N-ethyl-3-[4-[[methyl(propyl)amino]methyl]-1H-pyrazol-5-yl]benzamide;N-methyl-N-[[5-(4-phenoxyphenyl)-1H-pyrazol-4-yl]methyl]propan-1-amine

N-[[5-(3-chloro-4-propan-2-yloxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-(3,5-dimethyl-4-propan-2-yloxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-ethyl-N-methyl-3-[4-[[methyl(propyl)amino]methyl]-1H-pyrazol-5-yl]benzamide;N-ethyl-3-[4-[[methyl(propyl)amino]methyl]-1H-pyrazol-5-yl]benzamide;N-methyl-N-[[5-(4-phenoxyphenyl)-1H-pyrazol-4-yl]methyl]propan-1-amine (PubChem CID 157244076) has the molecular formula C92H128ClN17O5 and a molecular weight of 1587.60 g/mol. Its IUPAC name is N-[[5-(3-chloro-4-propan-2-yloxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-(3,5-dimethyl-4-propan-2-yloxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-ethyl-N-methyl-3-[4-[[methyl(propyl)amino]methyl]-1H-pyrazol-5-yl]benzamide;N-ethyl-3-[4-[[methyl(propyl)amino]methyl]-1H-pyrazol-5-yl]benzamide;N-methyl-N-[[5-(4-phenoxyphenyl)-1H-pyrazol-4-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[5-(3-chloro-4-propan-2-yloxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-(3,5-dimethyl-4-propan-2-yloxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-ethyl-N-methyl-3-[4-[[methyl(propyl)amino]methyl]-1H-pyrazol-5-yl]benzamide;N-ethyl-3-[4-[[methyl(propyl)amino]methyl]-1H-pyrazol-5-yl]benzamide;N-methyl-N-[[5-(4-phenoxyphenyl)-1H-pyrazol-4-yl]methyl]propan-1-amine
PubChem CID157244076
Molecular FormulaC92H128ClN17O5
Molecular Weight1587.60 g/mol
Exact Mass1586.00
IUPAC NameN-[[5-(3-chloro-4-propan-2-yloxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-(3,5-dimethyl-4-propan-2-yloxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-ethyl-N-methyl-3-[4-[[methyl(propyl)amino]methyl]-1H-pyrazol-5-yl]benzamide;N-ethyl-3-[4-[[methyl(propyl)amino]methyl]-1H-pyrazol-5-yl]benzamide;N-methyl-N-[[5-(4-phenoxyphenyl)-1H-pyrazol-4-yl]methyl]propan-1-amine
SMILESCCCCN(C)Cc1cn[nH]c1-c1ccc(OC(C)C)c(Cl)c1.CCCN(C)Cc1cn[nH]c1-c1cc(C)c(OC(C)C)c(C)c1.CCCN(C)Cc1cn[nH]c1-c1ccc(Oc2ccccc2)cc1.CCCN(C)Cc1cn[nH]c1-c1cccc(C(=O)N(C)CC)c1.CCCN(C)Cc1cn[nH]c1-c1cccc(C(=O)NCC)c1
InChIInChI=1S/C20H23N3O.C19H29N3O.C18H26ClN3O.C18H26N4O.C17H24N4O/c1-3-13-23(2)15-17-14-21-22-20(17)16-9-11-19(12-10-16)24-18-7-5-4-6-8-18;1-7-8-22(6)12-17-11-20-21-18(17)16-9-14(4)19(15(5)10-16)23-13(2)3;1-5-6-9-22(4)12-15-11-20-21-18(15)14-7-8-17(16(19)10-14)23-13(2)3;1-5-10-21(3)13-16-12-19-20-17(16)14-8-7-9-15(11-14)18(23)22(4)6-2;1-4-9-21(3)12-15-11-19-20-16(15)13-7-6-8-14(10-13)17(22)18-5-2/h4-12,14H,3,13,15H2,1-2H3,(H,21,22);9-11,13H,7-8,12H2,1-6H3,(H,20,21);7-8,10-11,13H,5-6,9,12H2,1-4H3,(H,20,21);7-9,11-12H,5-6,10,13H2,1-4H3,(H,19,20);6-8,10-11H,4-5,9,12H2,1-3H3,(H,18,22)(H,19,20)
InChIKeyAVNXYAFNZCMFRG-UHFFFAOYSA-N
XLogP19.46
TPSA236.70 Ų
H-Bond Donors6
H-Bond Acceptors15
Rotatable Bonds36
Heavy Atoms115
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001587.60
LogP ≤ 519.46
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1015

Analyze N-[[5-(3-chloro-4-propan-2-yloxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-(3,5-dimethyl-4-propan-2-yloxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-ethyl-N-methyl-3-[4-[[methyl(propyl)amino]methyl]-1H-pyrazol-5-yl]benzamide;N-ethyl-3-[4-[[methyl(propyl)amino]methyl]-1H-pyrazol-5-yl]benzamide;N-methyl-N-[[5-(4-phenoxyphenyl)-1H-pyrazol-4-yl]methyl]propan-1-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(3-chloro-4-propan-2-yloxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-(3,5-dimethyl-4-propan-2-yloxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-ethyl-N-methyl-3-[4-[[methyl(propyl)amino]methyl]-1H-pyrazol-5-yl]benzamide;N-ethyl-3-[4-[[methyl(propyl)amino]methyl]-1H-pyrazol-5-yl]benzamide;N-methyl-N-[[5-(4-phenoxyphenyl)-1H-pyrazol-4-yl]methyl]propan-1-amine?
The IUPAC name of N-[[5-(3-chloro-4-propan-2-yloxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-(3,5-dimethyl-4-propan-2-yloxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-ethyl-N-methyl-3-[4-[[methyl(propyl)amino]methyl]-1H-pyrazol-5-yl]benzamide;N-ethyl-3-[4-[[methyl(propyl)amino]methyl]-1H-pyrazol-5-yl]benzamide;N-methyl-N-[[5-(4-phenoxyphenyl)-1H-pyrazol-4-yl]methyl]propan-1-amine (CID 157244076) is N-[[5-(3-chloro-4-propan-2-yloxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-(3,5-dimethyl-4-propan-2-yloxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-ethyl-N-methyl-3-[4-[[methyl(propyl)amino]methyl]-1H-pyrazol-5-yl]benzamide;N-ethyl-3-[4-[[methyl(propyl)amino]methyl]-1H-pyrazol-5-yl]benzamide;N-methyl-N-[[5-(4-phenoxyphenyl)-1H-pyrazol-4-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[5-(3-chloro-4-propan-2-yloxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-(3,5-dimethyl-4-propan-2-yloxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-ethyl-N-methyl-3-[4-[[methyl(propyl)amino]methyl]-1H-pyrazol-5-yl]benzamide;N-ethyl-3-[4-[[methyl(propyl)amino]methyl]-1H-pyrazol-5-yl]benzamide;N-methyl-N-[[5-(4-phenoxyphenyl)-1H-pyrazol-4-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[5-(3-chloro-4-propan-2-yloxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-(3,5-dimethyl-4-propan-2-yloxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-ethyl-N-methyl-3-[4-[[methyl(propyl)amino]methyl]-1H-pyrazol-5-yl]benzamide;N-ethyl-3-[4-[[methyl(propyl)amino]methyl]-1H-pyrazol-5-yl]benzamide;N-methyl-N-[[5-(4-phenoxyphenyl)-1H-pyrazol-4-yl]methyl]propan-1-amine is CCCCN(C)Cc1cn[nH]c1-c1ccc(OC(C)C)c(Cl)c1.CCCN(C)Cc1cn[nH]c1-c1cc(C)c(OC(C)C)c(C)c1.CCCN(C)Cc1cn[nH]c1-c1ccc(Oc2ccccc2)cc1.CCCN(C)Cc1cn[nH]c1-c1cccc(C(=O)N(C)CC)c1.CCCN(C)Cc1cn[nH]c1-c1cccc(C(=O)NCC)c1.
What is the InChIKey of N-[[5-(3-chloro-4-propan-2-yloxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-(3,5-dimethyl-4-propan-2-yloxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-ethyl-N-methyl-3-[4-[[methyl(propyl)amino]methyl]-1H-pyrazol-5-yl]benzamide;N-ethyl-3-[4-[[methyl(propyl)amino]methyl]-1H-pyrazol-5-yl]benzamide;N-methyl-N-[[5-(4-phenoxyphenyl)-1H-pyrazol-4-yl]methyl]propan-1-amine?
The InChIKey is AVNXYAFNZCMFRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O.C19H29N3O.C18H26ClN3O.C18H26N4O.C17H24N4O/c1-3-13-23(2)15-17-14-21-22-20(17)16-9-11-19(12-10-16)24-18-7-5-4-6-8-18;1-7-8-22(6)12-17-11-20-21-18(17)16-9-14(4)19(15(5)10-16)23-13(2)3;1-5-6-9-22(4)12-15-11-20-21-18(15)14-7-8-17(16(19)10-14)23-13(2)3;1-5-10-21(3)13-16-12-19-20-17(16)14-8-7-9-15(11-14)18(23)22(4)6-2;1-4-9-21(3)12-15-11-19-20-16(15)13-7-6-8-14(10-13)17(22)18-5-2/h4-12,14H,3,13,15H2,1-2H3,(H,21,22);9-11,13H,7-8,12H2,1-6H3,(H,20,21);7-8,10-11,13H,5-6,9,12H2,1-4H3,(H,20,21);7-9,11-12H,5-6,10,13H2,1-4H3,(H,19,20);6-8,10-11H,4-5,9,12H2,1-3H3,(H,18,22)(H,19,20).
What are the key properties of N-[[5-(3-chloro-4-propan-2-yloxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-(3,5-dimethyl-4-propan-2-yloxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-ethyl-N-methyl-3-[4-[[methyl(propyl)amino]methyl]-1H-pyrazol-5-yl]benzamide;N-ethyl-3-[4-[[methyl(propyl)amino]methyl]-1H-pyrazol-5-yl]benzamide;N-methyl-N-[[5-(4-phenoxyphenyl)-1H-pyrazol-4-yl]methyl]propan-1-amine?
N-[[5-(3-chloro-4-propan-2-yloxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-(3,5-dimethyl-4-propan-2-yloxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-ethyl-N-methyl-3-[4-[[methyl(propyl)amino]methyl]-1H-pyrazol-5-yl]benzamide;N-ethyl-3-[4-[[methyl(propyl)amino]methyl]-1H-pyrazol-5-yl]benzamide;N-methyl-N-[[5-(4-phenoxyphenyl)-1H-pyrazol-4-yl]methyl]propan-1-amine has a molecular weight of 1587.60 g/mol, XLogP of 19.46, 36 rotatable bonds, 6 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(3-chloro-4-propan-2-yloxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-(3,5-dimethyl-4-propan-2-yloxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-ethyl-N-methyl-3-[4-[[methyl(propyl)amino]methyl]-1H-pyrazol-5-yl]benzamide;N-ethyl-3-[4-[[methyl(propyl)amino]methyl]-1H-pyrazol-5-yl]benzamide;N-methyl-N-[[5-(4-phenoxyphenyl)-1H-pyrazol-4-yl]methyl]propan-1-amine is sourced from PubChem (CID 157244076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).